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16-Methoxystrychnine

CAT: 0804-HY-N2431-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N2431-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
16-Methoxystrychnine is a alkaloid[1].
CAS Number
5096-72-0
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/16-methoxystrychnine.html
Solubility
10 mM in DMSO
Smiles
[H][C@@]1([C@@]23[H])C(CN4CC[C@]5([C@@]63[H])[C@]4(OC)C1)=CCO[C@H]2CC(N6C7=C5C=CC=C7)=O
Molecular Formula
C22H24N2O3
Molecular Weight
364.44
References & Citations
[1]Sandberg F, et al. Medicinal and toxic plants from Equatorial Africa: a pharmacologic approach. J Ethnopharmacol. 1980 Jun;2 (2) :105-8.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

16-Methoxystrychnine

16-Methoxystrychnine has been reported in Strychnos icaja with data available.

CAS Number5096-72-0
PubChem CID21723445
IUPAC Name(4aR,5aR,8aS,13aS,15aS,15bR)-5a-methoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Molecular FormulaC22H24N2O3
Molecular Weight364.4
XLogP2.4
Topological Polar Surface Area42
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity752
SMILES
CO[C@]12C[C@@H]3[C@H]4[C@@H]5CC(=O)N6[C@@H]4[C@]1(CCN2CC3=CCO5)C7=CC=CC=C76
InChI
InChI=1S/C22H24N2O3/c1-26-22-11-14-13-6-9-27-17-10-18(25)24-16-5-3-2-4-15(16)21(22,20(24)19(14)17)7-8-23(22)12-13/h2-6,14,17,19-20H,7-12H2,1H3/t14-,17-,19-,20-,21-,22+/m0/s1
InChIKey
BMDMNLBIKSAWCI-FCGMOTLLSA-N
Chemical Structure
2D Structure
2D structure of 16-Methoxystrychnine
CAS: 5096-72-0
CID: 21723445
Formula: C22H24N2O3
MW: 364.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.4
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass364.17869263
Monoisotopic Mass364.17869263
Topological Polar Surface Area42 Ų
Heavy Atom Count27
Formal Charge0
Complexity752
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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